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Evert Jan Baerends
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Journal Articles
- 2013
- [j9]Andranik Kazaryan, Evert Jan Baerends:
Assessment of density functional methods for reaction energetics: Iridium-catalyzed water oxidation as case study. J. Comput. Chem. 34(10): 870-878 (2013) - 2011
- [j8]Xiao Wei Sheng, Lukasz Mentel, Oleg V. Gritsenko, Evert Jan Baerends:
Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range. J. Comput. Chem. 32(13): 2896-2901 (2011) - 2004
- [j7]Célia Fonseca Guerra
, Jan-Willem Handgraaf
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis. J. Comput. Chem. 25(2): 189-210 (2004) - [j6]Delano P. Chong, Erik Van Lenthe, Stan J. A. van Gisbergen, Evert Jan Baerends:
Even-tempered slater-type orbitals revisited: From hydrogen to krypton. J. Comput. Chem. 25(8): 1030-1036 (2004) - 2003
- [j5]Erik Van Lenthe, Evert Jan Baerends:
Optimized Slater-type basis sets for the elements 1-118. J. Comput. Chem. 24(9): 1142-1156 (2003) - [j4]Delano P. Chong, Myrta Grüning
STO and GTO field-induced polarization functions for H to Kr. J. Comput. Chem. 24(13): 1582-1591 (2003) - 2001
- [j3]G. te Velde, Friedrich Matthias Bickelhaupt
Chemistry with ADF. J. Comput. Chem. 22(9): 931-967 (2001) - 2000
- [j2]Stan J. A. van Gisbergen, Célia Fonseca Guerra, Evert Jan Baerends:
Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory. J. Comput. Chem. 21(16): 1511-1523 (2000) - [j1]Henri E. Bal, Raoul Bhoedjang, Rutger F. H. Hofman, Ceriel J. H. Jacobs
The Distributed ASCI Supercomputer Project. ACM SIGOPS Oper. Syst. Rev. 34(4): 76-96 (2000)
Coauthor Index
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